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CHEBI:71526 - N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine

ChEBI IDCHEBI:71526
ChEBI NameN-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine
Stars
ASCII NameN-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine
DefinitionA benzenedicarboxamide in which one nitrogen forms the β-nitogen of β-alanine and the other is the N of 2,3,3a,4,7,7a-hexahydro-1H-isoindole.
Last Modified4 January 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H22N2O4
Net Charge0
Average Mass342.395
Monoisotopic Mass342.15796
SMILESO=C(O)CCNC(=O)c1ccc(C(=O)N2CC3CC=CCC3C2)cc1
InChIInChI=1S/C19H22N2O4/c22-17(23)9-10-20-18(24)13-5-7-14(8-6-13)19(25)21-11-15-3-1-2-4-16(15)12-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,24)(H,22,23)
InChIKeyZNHOXFODVISWMP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine (CHEBI:71526) has functional parent terephthalamide (CHEBI:38802)
N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine (CHEBI:71526) has functional parent β-alanine (CHEBI:16958)
N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine (CHEBI:71526) is a benzenedicarboxamide (CHEBI:38800)
IUPAC Name 
N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine
Synonym  Source
3-{[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]amino}propanoic acidIUPAC
Citations